2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H19N3O3S2 — CID 49024400

IUPAC2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H19N3O3S2/c1-8-10(22-12(16-8)14(2,3)4)11(19)15-5-6-17-9(18)7-21-13(17)20/h5-7H2,1-4H3,(H,15,19)
InChIKeyLCGNWRULGVRXID-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.17
Rot. Bonds4

About 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49024400) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49024400
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H19N3O3S2/c1-8-10(22-12(16-8)14(2,3)4)11(19)15-5-6-17-9(18)7-21-13(17)20/h5-7H2,1-4H3,(H,15,19)
InChIKeyLCGNWRULGVRXID-UHFFFAOYSA-N
XLogP2.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49024400) is 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LCGNWRULGVRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-8-10(22-12(16-8)14(2,3)4)11(19)15-5-6-17-9(18)7-21-13(17)20/h5-7H2,1-4H3,(H,15,19).
What are the key properties of 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49024400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).